Diethyl 2-(3-hydroxypropyl)propanedioate

HCID 294844

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 73691-01-7
Standard SMILES: CCOC(=O)C(CCCO)C(=O)OCC
InChIKey: PPPDSAOLWPGOBE-UHFFFAOYSA-N
Molecular formula: C10H18O5
Average molar mass: 218.25 g/mol
Monoisotopic mass: 218.11542368

Names & identifiers

Preferred name: Diethyl 2-(3-hydroxypropyl)propanedioate
IUPAC: diethyl 2-(3-hydroxypropyl)propanedioate

Names & synonyms

73691-01-7Diethyl 2-(3-hydroxypropyl)malonatediethyl 2-(3-hydroxypropyl)propanedioateNSC163893SCHEMBL10748700DTXSID20304017PPPDSAOLWPGOBE-UHFFFAOYSA-NAKOS017558987Diethyl (3-hydroxypropyl)propanedioateNSC-163893diethyl 2-(3-hydroxypropyl)propane-1,3-dioate

Database identifiers

CAS: 73691-01-7
PubChem CID: 294844
DTXSID: DTXSID20304017
Nikkaji: J773.958C

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 15
Formal charge: 0
Complexity: 184

Related reactions

2 records

New reaction record

HRID 179887As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 256002As reactantuspto-grants-1987_10

Compound notes

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